Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | SCN4A | P35499 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | HTR3A | P46098 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 3/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7335047 | 0.84 | ADRB1 (0.50) | ADRB1HTR7TSHRAVPR1AALDH1A1 | |
| SCHEMBL3436430 | 0.82 | ADRB1 (0.48) | ADRB1TSHRAVPR1AALDH1A1SMN1; SMN2 | |
| SCHEMBL7336452 | 0.82 | ADRB1 (0.48) | ADRB1HTR7TSHRAVPR1AALDH1A1 | |
| SCHEMBL3436431 | 0.82 | ADRB1 (0.48) | ADRB1TSHRAVPR1AALDH1A1SMN1; SMN2 | |
| SCHEMBL8783217 | 0.76 | HTR2C (0.45) | ADRB1AR | |
| SCHEMBL7446512 | 0.76 | ADRB1 (0.57) | ADRB1HTR7TSHRAVPR1AALDH1A1 | |
| SCHEMBL21268764 | 0.75 | ADRB1 (0.61) | ADRB1HTR7TSHRALDH1A1HPGD | |
| SCHEMBL21268746 | 0.75 | ADRB1 (0.61) | ADRB1HTR7TSHRALDH1A1HPGD | |
| SCHEMBL21281577 | 0.75 | ADRB1 (0.61) | ADRB1HTR7TSHRALDH1A1HPGD | |
| SCHEMBL3436320 | 0.73 | CYP46A1 (0.55) | ADRB1OPRM1OPRL1TSHRAKR1C3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |